MMsINC Database Search


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MMsINC code: MMs01974387

Type: Neutral
Formula: C₁₅H₁₄N₂O₃S

SMILES:

S(=O)(=O)(n1c2c(nc1)cccc2)c1cc(C)c(OC)cc1

InChI:

InChI=1/C15H14N2O3S/c1-11-9-12(7-8-15(11)20-2)21(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3504 kcal/mol

Physical Properties
Molecular Weight: 302.354 g/mol	logS: -3.95639	SlogP: 2.59032	Reactive groups: 0

Topological Properties
Globularity: 0.150194	Sterimol/B1: 2.20712	Sterimol/B2: 3.71676	Sterimol/B3: 4.64285
Sterimol/B4: 7.3699	Sterimol/L: 13.7678

Surface and Volume Properties
Accessible surface: 499.422	Positive charged surface: 296.372	Negative charged surface: 203.05	Volume: 270.375
Hydrophobic surface: 408.968	Hydrophilic surface: 90.454

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.